host_material
string | host_element_a
string | host_element_b
string | impurity
string | removed_element
string | site_type
string | site
string | is_a_latt
int64 | is_interstitial
int64 | is_interstitial_a
int64 | is_interstitial_b
int64 | is_interstitial_n
int64 | M_Al
int64 | M_As
int64 | M_Cd
int64 | M_Ga
int64 | M_In
int64 | M_P
int64 | M_S
int64 | M_Sb
int64 | M_Se
int64 | M_Te
int64 | M_i_Cd_site
int64 | M_i_S_site
int64 | M_i_Se_site
int64 | M_i_Te_site
int64 | M_i_neut_site
int64 | charge_from
int64 | charge_to
int64 | host bandgap_[eV]
float64 | host lattice constant_[Ang.]
float64 | host_epsilon
float64 | ba_shift
float64 | mba_pbe
float64 | mba_pbe_gapfrac
float64 | pbe defect level (relative to VBM)_[eV]
float64 | hse defect level (relative to VBM)_[eV]
float64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CdTe
|
Cd
|
Te
|
Tl
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.4554
| 2.578657
| 2.75
| null |
CdTe
|
Cd
|
Te
|
Pb
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.273
| 2.442537
| 2.59
| null |
CdTe
|
Cd
|
Te
|
Tl
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.3072
| 2.46806
| 2.62
| null |
CdTe
|
Cd
|
Te
|
In
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.273
| 2.442537
| 2.59
| null |
CdTe
|
Cd
|
Te
|
Rb
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.4326
| 2.561642
| 2.73
| null |
CdTe
|
Cd
|
Te
|
Ta
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 2.9766
| 2.221343
| 2.33
| null |
CdTe
|
Cd
|
Te
|
Sn
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.0336
| 2.263881
| 2.38
| null |
CdTe
|
Cd
|
Te
|
Rb
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.387
| 2.527612
| 2.69
| null |
CdTe
|
Cd
|
Te
|
Cs
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.3414
| 2.493582
| 2.65
| null |
CdTe
|
Cd
|
Te
|
Ba
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.1134
| 2.323433
| 2.45
| null |
CdTe
|
Cd
|
Te
|
Nb
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 2.9652
| 2.212836
| 2.32
| null |
CdTe
|
Cd
|
Te
|
Fe
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.0222
| 2.255373
| 2.37
| null |
CdTe
|
Cd
|
Te
|
Mn
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.2844
| 2.451045
| 2.6
| null |
CdTe
|
Cd
|
Te
|
Sc
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.216
| 2.4
| 2.54
| null |
CdTe
|
Cd
|
Te
|
Sn
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.1932
| 2.382985
| 2.52
| null |
CdTe
|
Cd
|
Te
|
Cs
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.4326
| 2.561642
| 2.73
| null |
CdTe
|
Cd
|
Te
|
Sc
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.159
| 2.357463
| 2.49
| null |
CdTe
|
Cd
|
Te
|
Cs
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.501
| 2.612687
| 2.79
| null |
CdTe
|
Cd
|
Te
|
Pb
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.102
| 2.314925
| 2.44
| null |
CdTe
|
Cd
|
Te
|
Mg
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.2388
| 2.417015
| 2.56
| null |
CdTe
|
Cd
|
Te
|
Mg
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.2958
| 2.459552
| 2.61
| null |
CdTe
|
Cd
|
Te
|
Zr
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.0792
| 2.29791
| 2.42
| null |
CdTe
|
Cd
|
Te
|
K
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.1932
| 2.382985
| 2.52
| null |
CdTe
|
Cd
|
Te
|
Y
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.2274
| 2.408507
| 2.55
| null |
CdTe
|
Cd
|
Te
|
Sn
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.0336
| 2.263881
| 2.38
| null |
CdTe
|
Cd
|
Te
|
Ca
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.1704
| 2.36597
| 2.5
| null |
CdTe
|
Cd
|
Te
|
La
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.2274
| 2.408507
| 2.55
| null |
CdTe
|
Cd
|
Te
|
Hf
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.1476
| 2.348955
| 2.48
| null |
CdTe
|
Cd
|
Te
|
Sr
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.2046
| 2.391493
| 2.53
| null |
CdTe
|
Cd
|
Te
|
Ca
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.3072
| 2.46806
| 2.62
| null |
CdTe
|
Cd
|
Te
|
Pb
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.159
| 2.357463
| 2.49
| null |
CdTe
|
Cd
|
Te
|
Ba
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.2958
| 2.459552
| 2.61
| null |
CdTe
|
Cd
|
Te
|
Ca
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.3984
| 2.536119
| 2.7
| null |
CdTe
|
Cd
|
Te
|
Y
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.2046
| 2.391493
| 2.53
| null |
CdTe
|
Cd
|
Te
|
Sr
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.3528
| 2.50209
| 2.66
| null |
CdTe
|
Cd
|
Te
|
Ba
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.3072
| 2.46806
| 2.62
| null |
CdTe
|
Cd
|
Te
|
Sc
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.3414
| 2.493582
| 2.65
| null |
CdTe
|
Cd
|
Te
|
La
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.2388
| 2.417015
| 2.56
| null |
CdTe
|
Cd
|
Te
|
Sr
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.444
| 2.570149
| 2.74
| null |
CdTe
|
Cd
|
Te
|
Rb
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.216
| 2.4
| 2.54
| null |
CdTe
|
Cd
|
Te
|
Cs
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 2.646
| 1.974627
| 2.04
| null |
CdTe
|
Cd
|
Te
|
Ba
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.4782
| 2.595672
| 2.77
| null |
CdTe
|
Cd
|
Te
|
La
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.3756
| 2.519104
| 2.68
| null |
CdTe
|
Cd
|
Te
|
Y
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.3984
| 2.536119
| 2.7
| null |
CdTe
|
Cd
|
Te
|
Mo
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.0564
| 2.280896
| 2.4
| null |
CdTe
|
Cd
|
Te
|
Be
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.34
| 6.63
| 10.6
| 0.508
| 3.102
| 2.314925
| 2.44
| null |
CdTeSe
|
Cd
|
TeSe
|
Al
|
Cd
|
3
|
M_Cd
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.6996
| -0.578182
| -0.93
| null |
CdTeSe
|
Cd
|
TeSe
|
Br
|
Se
|
5
|
M_Se
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.54
| -0.446281
| -0.79
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.4374
| -0.361488
| -0.7
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.3918
| -0.323802
| -0.66
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
0
|
int_5
|
M_i_Se_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.4146
| -0.342645
| -0.68
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.4032
| -0.333223
| -0.67
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
Se
|
5
|
M_Se
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.426
| -0.352066
| -0.69
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.4716
| -0.389752
| -0.73
| null |
CdTeSe
|
Cd
|
TeSe
|
Cl
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.597
| -0.493388
| -0.84
| null |
CdTeSe
|
Cd
|
TeSe
|
Cu
|
Cd
|
3
|
M_Cd
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.7452
| -0.615868
| -0.97
| null |
CdTeSe
|
Cd
|
TeSe
|
O
|
Se
|
5
|
M_Se
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.7452
| -0.615868
| -0.97
| null |
CdTeSe
|
Cd
|
TeSe
|
S
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.711
| -0.587603
| -0.94
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
Cd
|
3
|
M_Cd
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.5514
| -0.455702
| -0.8
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.4716
| -0.389752
| -0.73
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.4146
| -0.342645
| -0.68
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
0
|
int_5
|
M_i_Se_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.4374
| -0.361488
| -0.7
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.3918
| -0.323802
| -0.66
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
Cd
|
3
|
M_Cd
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.4602
| -0.380331
| -0.72
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.1638
| -0.135372
| -0.46
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.3804
| -0.31438
| -0.65
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
0
|
int_5
|
M_i_Se_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| 0.0186
| 0.015372
| -0.3
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 3
| 2
| 1.21
| 6.42
| 10.4
| 0.53
| -0.255
| -0.210744
| -0.54
| null |
CdTeSe
|
Cd
|
TeSe
|
Al
|
Cd
|
3
|
M_Cd
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 3.0396
| 2.512066
| 2.35
| null |
CdTeSe
|
Cd
|
TeSe
|
Br
|
Se
|
5
|
M_Se
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 3.1992
| 2.643967
| 2.49
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 3.2106
| 2.653388
| 2.5
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 3.2106
| 2.653388
| 2.5
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
0
|
int_5
|
M_i_Se_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 3.165
| 2.615702
| 2.46
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 3.108
| 2.568595
| 2.41
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
Se
|
5
|
M_Se
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.6178
| 2.163471
| 1.98
| null |
CdTeSe
|
Cd
|
TeSe
|
Cd
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.709
| 2.238843
| 2.06
| null |
CdTeSe
|
Cd
|
TeSe
|
Cl
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 3.1422
| 2.59686
| 2.44
| null |
CdTeSe
|
Cd
|
TeSe
|
Cu
|
Cd
|
3
|
M_Cd
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.6862
| 2.22
| 2.04
| null |
CdTeSe
|
Cd
|
TeSe
|
O
|
Se
|
5
|
M_Se
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.7204
| 2.248264
| 2.07
| null |
CdTeSe
|
Cd
|
TeSe
|
S
|
Te
|
5
|
M_Te
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.994
| 2.47438
| 2.31
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
Cd
|
3
|
M_Cd
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.8686
| 2.370744
| 2.2
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.8914
| 2.389587
| 2.22
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 3.1992
| 2.643967
| 2.49
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
0
|
int_5
|
M_i_Se_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.6292
| 2.172893
| 1.99
| null |
CdTeSe
|
Cd
|
TeSe
|
Se
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.6976
| 2.229421
| 2.05
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
Cd
|
3
|
M_Cd
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.652
| 2.191736
| 2.01
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
0
|
int_3
|
M_i_Cd_site
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.7546
| 2.276529
| 2.1
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
0
|
int_neut
|
M_i_neut_site
| 0
| 1
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 3.0738
| 2.540331
| 2.38
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
0
|
int_5
|
M_i_Se_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.7546
| 2.276529
| 2.1
| null |
CdTeSe
|
Cd
|
TeSe
|
Te
|
0
|
int_5
|
M_i_Te_site
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| -2
| -3
| 1.21
| 6.42
| 10.4
| 0.53
| 2.8344
| 2.342479
| 2.17
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 5
| 4
| 2.52
| 5.44
| 9.8
| 0.65834
| -1.19789
| -0.475353
| -1.3188
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 4
| 3
| 2.52
| 5.44
| 9.8
| 0.65834
| -0.34672
| -0.137587
| -0.57216
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 3
| 2
| 2.52
| 5.44
| 9.8
| 0.65834
| 0.04846
| 0.01923
| -0.22551
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 2
| 1
| 2.52
| 5.44
| 9.8
| 0.65834
| 0.62274
| 0.247119
| 0.27825
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 2.52
| 5.44
| 9.8
| 0.65834
| 1.09212
| 0.433381
| 0.68998
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| 2.52
| 5.44
| 9.8
| 0.65834
| 1.60165
| 0.635575
| 1.13694
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -1
| -2
| 2.52
| 5.44
| 9.8
| 0.65834
| 2.19566
| 0.871294
| 1.658
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -2
| -3
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.2651
| 1.295675
| 2.59609
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -3
| -4
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.6433
| 1.445754
| 2.92788
| null |
AlP
|
Al
|
P
|
Al
|
P
|
5
|
M_P
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| -4
| -5
| 2.52
| 5.44
| 9.8
| 0.65834
| 3.9866
| 1.581984
| 3.229
| null |
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